Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)- (6CI,9CI)

CAS 5342-96-1 MFCD00019881

化学结构图

5342-96-1
SMILES: N#CCCC(CCC#N)(CCC#N)C(=O)c1ccccc1

化学属性

Mol. FormulaC17H17N3O
Mol. Weight279

别名和识别编码

Chemical NameHeptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)- (6CI,9CI)
Synonym Phenacylidynetripropionitrile Tris(cyanoethyl)acetophenone Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)-
CAS Number5342-96-1
Beilstein Registry Number2144045
InChIKeyCJSOIFOTLJQHEY-UHFFFAOYSA-N
PubChem Substance ID94805
InChIInChI=1S/C17H17N3O/c18-12-4-9-17(10-5-13-19,11-6-14-20)16(21)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-11H2
Chemical Name Translation
MDL Number
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安全信息

RTECSUG4280000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#03282

系列性分类

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